Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2944841

Cl.Cl.O=C(O)[C@@H]1Cc2nc[nH]c2CN1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 2/20 0.41
ADRA1A known ✓ P35348 1/20 0.35
MMP8 known ✓ P22894 2/20 0.32
ADRA2A known ✓ P08913 1/20 0.30
ADRA2B known ✓ P18089 1/20 0.30
ADRA2C known ✓ P18825 1/20 0.30
SLC6A4 known ✓ P31645 1/20 0.30
OPRK1 known ✓ P41145 1/20 0.30
HTR2B known ✓ P41595 1/20 0.30
HTR3A known ✓ P46098 1/20 0.30
KCNH2 known ✓ Q12809 1/20 0.30
EGLN1 Q9GZT9 1/20 0.44
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIA2 P42262 1/20 0.37
MAPT P10636 1/20 0.35
MMP3 P08254 1/20 0.31
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5310131 1.00 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL28549943 1.00 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL28549945 1.00 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL10544160 0.98 EGLN1 (0.46) EGLN1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL10544179 0.98 EGLN1 (0.46) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL6874923 0.87 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL3804263 0.87 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL9582700 0.87 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL3738082 0.87 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL9582091 0.87 EGLN1 (0.44) EGLN1KDM4EALDH1A1GAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034131-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2025-01-30 US disclosed
EP-4114836-B1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2025-01-08 EP disclosed
CN-115190878-B Crystalline hydrates of JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2024-10-29 CN disclosed
US-12122773-B2 Crystalline hydrate of a JAK inhibitor compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-10-22 US disclosed
EP-3837258-B1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-04-24 EP disclosed
US-20240025897-A1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-01-25 US disclosed
US-20230322774-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-12 US disclosed
US-11713315-B2 5 to 7 membered heterocyclic amides as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-01 US disclosed
US-11702415-B2 Crystalline hydrate of a JAK inhibitor compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-18 US disclosed
EP-3837010-B1 5 TO 7 MEMBERED HETEROCYCLIC AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-05 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO disclosed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB GAA 141/4885ADRA1A 4270/4885MMP8 1359/4885
US-20250034131-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS JAK1, JAK2, JAK3 GAA 2172/4885ADRA1A 2465/4885MMP8 2388/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB GAA 118/4885ADRA1A 4544/4885MMP8 1052/4885
US-20230322774-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS JAK1, JAK2, JAK3 GAA 2172/4885ADRA1A 2465/4885MMP8 2388/4885
US-11713315-B2 5 to 7 membered heterocyclic amides as JAK inhibitors JAK1, JAK2, JAK3 GAA 2337/4885ADRA1A 4310/4885MMP8 2087/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP GAA 47/4885ADRA1A 3111/4885MMP8 2524/4885
US-12122773-B2 Crystalline hydrate of a JAK inhibitor compound JAK1, JAK2, JAK3 GAA 2068/4885ADRA1A 3177/4885MMP8 1360/4885
US-11702415-B2 Crystalline hydrate of a JAK inhibitor compound JAK1, JAK2, JAK3 GAA 2068/4885ADRA1A 3177/4885MMP8 1360/4885
US-20240025897-A1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND JAK1, JAK2, JAK3 GAA 2068/4885ADRA1A 3177/4885MMP8 1360/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB GAA 97/4885ADRA1A 4614/4885MMP8 1079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.